Detailed information for compound 1294921

Basic information

Technical information
  • TDR Targets ID: 1294921
  • Name: 2-methyl-5-oxo-N-phenyl-6-(thiophen-2-ylmethy l)-1,6-naphthyridine-3-carboxamide
  • MW: 375.444 | Formula: C21H17N3O2S
  • H donors: 1 H acceptors: 3 LogP: 2.93 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cc2c(nc1C)ccn(c2=O)Cc1cccs1)Nc1ccccc1
  • InChi: 1S/C21H17N3O2S/c1-14-17(20(25)23-15-6-3-2-4-7-15)12-18-19(22-14)9-10-24(21(18)26)13-16-8-5-11-27-16/h2-12H,13H2,1H3,(H,23,25)
  • InChiKey: JPWWAORRCWHTHU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-methyl-5-oxo-N-phenyl-6-(2-thienylmethyl)-1,6-naphthyridine-3-carboxamide
  • 5-keto-2-methyl-N-phenyl-6-(2-thienylmethyl)-1,6-naphthyridine-3-carboxamide
  • G267-0374
  • NCGC00129765-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0182 0.7474 0.7342
Onchocerca volvulus 0.0036 0.0781 0.0297
Loa Loa (eye worm) hypothetical protein 0.0036 0.0781 0.09
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0781 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1882 0.2168
Mycobacterium leprae Probable lipase LipE 0.0036 0.0781 0.5
Loa Loa (eye worm) beta-lactamase 0.0036 0.0781 0.09
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0781 0.0555
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0499 0.4935
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0781 0.7728
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0499 0.4935
Brugia malayi beta-lactamase family protein 0.0036 0.0781 0.09
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0781 0.09
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0781 0.0555
Toxoplasma gondii ABC1 family protein 0.0036 0.0781 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1882 0.2168
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1011 0.1165
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0781 0.0555
Brugia malayi Pre-SET motif family protein 0.003 0.0499 0.0575
Plasmodium falciparum T-complex protein 1 subunit beta 0.0024 0.024 0.5
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0499 0.6386
Brugia malayi T-complex protein 1, beta subunit 0.0024 0.024 0.0276
Echinococcus granulosus chaperonin containing TCP1 subunit 2 beta 0.0024 0.024 0.307
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0024 0.024 0.2372
Brugia malayi Pre-SET motif family protein 0.0209 0.868 1
Brugia malayi MH2 domain containing protein 0.0144 0.5722 0.6592
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0781 0.0555
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0499 0.4935
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0781 0.0555
Trichomonas vaginalis esterase, putative 0.0036 0.0781 0.0555
Brugia malayi T-complex protein 1, beta subunit 0.0024 0.024 0.0276
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.5722 0.6592
Loa Loa (eye worm) hypothetical protein 0.0036 0.0781 0.09
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1882 0.2168
Loa Loa (eye worm) hypothetical protein 0.0041 0.1011 0.1165
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0499 0.6386
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0209 0.868 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0781 1
Entamoeba histolytica T-complex protein 1 beta subunit, putative 0.0024 0.024 0.5
Loa Loa (eye worm) hypothetical protein 0.0182 0.7474 0.861
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0781 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0781 0.7728
Brugia malayi beta-lactamase 0.0036 0.0781 0.09
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0448 0.5741
Schistosoma mansoni hypothetical protein 0.0041 0.1011 1
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0781 0.5
Mycobacterium ulcerans beta-lactamase 0.0036 0.0781 0.5
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0781 0.5
Mycobacterium ulcerans hypothetical protein 0.0036 0.0781 0.5
Giardia lamblia TCP-1 chaperonin subunit beta 0.0024 0.024 0.5
Onchocerca volvulus 0.0036 0.0781 0.0297
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0499 0.4785
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0781 1
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0781 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0781 0.09
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0231 0.9686 1
Onchocerca volvulus 0.0036 0.0781 0.0297
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0781 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0499 0.6386
Loa Loa (eye worm) hypothetical protein 0.0036 0.0781 0.09
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0024 0.024 0.2372
Loa Loa (eye worm) T-complex protein 1 0.0024 0.024 0.0276
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0024 0.024 0.2372
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0781 0.09
Brugia malayi beta-lactamase family protein 0.0036 0.0781 0.09
Loa Loa (eye worm) hypothetical protein 0.003 0.0499 0.0575
Loa Loa (eye worm) hypothetical protein 0.0036 0.0781 0.09
Loa Loa (eye worm) hypothetical protein 0.006 0.1882 0.2168
Brugia malayi hypothetical protein 0.0182 0.7474 0.861
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0781 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.0781 0.09
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.5722 0.6592
Mycobacterium ulcerans lipase LipD 0.0036 0.0781 0.5
Leishmania major hypothetical protein, conserved 0.0036 0.0781 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0499 0.4935
Plasmodium vivax SET domain protein, putative 0.003 0.0499 0.4785
Echinococcus multilocularis chaperonin containing TCP1, subunit 2 (beta) 0.0024 0.024 0.307

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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